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	hartrees
Energy at 0K	-192.249141
Energy at 298.15K	-192.250814
HF Energy	-191.591230
Nuclear repulsion energy	123.095933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3023	0.00
2	A₁	2037	1894	0.00
3	A₁	1507	1401	0.00
4	A₁	779	724	0.00
5	B₁	729	678	0.00
6	B₂	3250	3022	0.01
7	B₂	2341	2177	236.07
8	B₂	1591	1479	11.86
9	B₂	1377	1280	10.02
10	E	3336	3102	0.08
10	E	3336	3102	0.08
11	E	1062	987	0.23
11	E	1062	987	0.23
12	E	941	875	55.10
12	E	941	875	55.10
13	E	557	518	0.59
13	E	557	518	0.59
14	E	359	334	0.08
14	E	359	334	0.08
15	E	158	147	4.79
15	E	158	147	4.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.269
C3	0.000	0.000	-1.269
C4	0.000	0.000	2.569
C5	0.000	0.000	-2.569
H6	0.000	0.922	3.121
H7	0.000	-0.922	3.121
H8	0.922	0.000	-3.121
H9	-0.922	0.000	-3.121

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2685	1.2685	2.5694	2.5694	3.2544	3.2544	3.2544	3.2544
C2	1.2685		2.5370	1.3008	3.8379	2.0693	2.0693	4.4853	4.4853
C3	1.2685	2.5370		3.8379	1.3008	4.4853	4.4853	2.0693	2.0693
C4	2.5694	1.3008	3.8379		5.1387	1.0747	1.0747	5.7646	5.7646
C5	2.5694	3.8379	1.3008	5.1387		5.7646	5.7646	1.0747	1.0747
H6	3.2544	2.0693	4.4853	1.0747	5.7646		1.8446	6.3767	6.3767
H7	3.2544	2.0693	4.4853	1.0747	5.7646	1.8446		6.3767	6.3767
H8	3.2544	4.4853	2.0693	5.7646	1.0747	6.3767	6.3767		1.8446
H9	3.2544	4.4853	2.0693	5.7646	1.0747	6.3767	6.3767	1.8446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	H6	120.881
C2	C4	H7	120.881	C3	C5	H8	120.881
C3	C5	H9	120.881	H6	C4	H7	118.237
H8	C5	H9	118.237

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CISD/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: CISD/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)